4-nitro-N-[3-[(E)-3-[4-[(E)-3-[3-[(4-nitrobenzoyl)amino]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]benzamide

Formula:C38H26N4O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-nitro-N-[3-[(E)-3-[4-[(E)-3-[3-[(4-nitrobenzoyl)amino]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]benzamide is not a drug-like molecule.

MolName	4-nitro-N-[3-[(E)-3-[4-[(E)-3-[3-[(4-nitrobenzoyl)amino]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]benzamide
MolecularFormula	C38H26N4O8
Smiles	[O-][N+](c(cc1)ccc1C(Nc1cccc(C(/C=C/c2ccc(/C=C/C(c3cccc(NC(c(cc4)ccc4[N+]([O-])=O)=O)c3)=O)cc2)=O)c1)=O)=O
InChI	InChI=1S/C38H26N4O8/c43-35(29-3-1-5-31(23-29)39-37(45)27-13-17-33(18-14-27)41(47)48)21-11-25-7-9-26(10-8-25)12-22-36(44)30-4-2-6-32(24-30)40-38(46)28-15-19-34(20-16-28)42(49)50/h1-24H,(H,39,45)(H,40,46)
InChIK	UVEGLEXFYWTCBP-UHFFFAOYSA-N
TotalMolweight	666.644
Molweight	666.644
MonoisotopicMass	666.175066
CLogP	5.3998
CLogS	-10.008
H Acceptors	12
H Donors	2
TotalSurfaceArea	506.56
Relative PSA	0.26832
PolarSurfaceArea	183.98
Druglikeness	-3.1197
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64
Fragments	1
Non HAtoms	50
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	12
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	30
Sp3Atoms	2
Symmetricatoms	28
Amides	2
AcidicOxygens	2
StereoCon

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1 - 4-nitro-N-[3-[(E)-3-[4-[(E)-3-[3-[(4-nitrobenzoyl)amino]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]benzamide | 2 - 4-nitro-N-[3-[(E)-3-[4-[(E)-3-[3-[(4-nitrobenzoyl)amino]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]benzamide

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